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H. pylori KDO2-lipid A

PropertiesImageOccurences in reactions
MNX_IDMNXM814712Image of MNXM814712
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC128H238N2O39P2
charge0
mass2489.6177
referencekeggC:C21988
InChIKeyXTAMHAURENBJRC-OFQBUTOVSA-N
InChIInChI=1S/C128H238N2O39P2/c1-7-13-19-25-31-37-43-46-47-50-56-62-68-73-79-85-109(140)159-99(83-77-71-65-60-55-49-45-39-33-27-21-15-9-3)89-108(139)130-114-122(164-112(143)90-100(84-78-72-66-59-52-41-35-29-23-17-11-5)160-110(141)86-80-74-67-61-53-42-36-30-24-18-12-6)120(168-170(151,152)153)106(96-158-127(125(147)148)92-104(116(145)119(166-127)103(137)94-132)165-128(126(149)150)91-101(135)115(144)118(167-128)102(136)93-131)162-123(114)157-95-105-117(146)121(163-111(142)88-98(134)82-76-70-64-57-51-40-34-28-22-16-10-4)113(124(161-105)169-171(154,155)156)129-107(138)87-97(133)81-75-69-63-58-54-48-44-38-32-26-20-14-8-2/h97-106,113-124,131-137,144-146H,7-96H2,1-6H3,(H,129,138)(H,130,139)(H,147,148)(H,149,150)(H2,151,152,153)(H2,154,155,156)/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,127-,128-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
kegg.compound:C21988
keggC:C21988
H. pylori KDO2-lipid A
keggC:M_C21988 secondary/obsolete/fantasy identifier